3379-3310 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid

3379-3310 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid
3379-3310 Screening compound: 3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3310
3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3379-3310

Molecular Formula

C21H20N2O7 (C21 H20 N2 O7)

Compound Name

3-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid

IUPAC name

3-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]propanoic acid

SMILES

COc(cccc1)c1C(N/C(/C(NCCC(O)=O)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H20N2O7/c1-28-16-5-3-2-4-14(16)20(26)23-15(21(27)22-9-8-19(24)25)10-13-6-7-17-18(11-13)30-12-29-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)

InChI Key

HYCNDASZAYLFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.131

Distribution Coefficient, logD

-1.565

Water Solubility, LogSw

-2.38

Polar Surface Area

99.819

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3379-3310 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-3310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3310?
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What is the minimum amount of 3379-3310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3310
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3379-3310 available by request